CID 51060826

2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-n-(2-methylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C19H16BrN3O3
SMILES
CC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC#C
InChI
InChI=1S/C19H16BrN3O3/c1-3-10-26-17-9-8-15(20)11-14(17)12-21-23-19(25)18(24)22-16-7-5-4-6-13(16)2/h1,4-9,11-12H,10H2,2H3,(H,22,24)(H,23,25)/b21-12+
InChIKey
WZGLAKUICKICFI-CIAFOILYSA-N
Compound name
N'-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0375 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04478 191.0
[M+Na]+ 436.02672 200.9
[M-H]- 412.03022 196.5
[M+NH4]+ 431.07132 202.6
[M+K]+ 452.00066 187.3
[M+H-H2O]+ 396.03476 180.6
[M+HCOO]- 458.03570 210.1
[M+CH3COO]- 472.05135 230.0
[M+Na-2H]- 434.01217 192.2
[M]+ 413.03695 202.7
[M]- 413.03805 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.